hexan-2-yl-di(propan-2-yloxy)borane

C12H27BO2 — CID 57174068

IUPAChexan-2-yl-di(propan-2-yloxy)borane
SMILESCCCCC(C)B(OC(C)C)OC(C)C
InChIInChI=1S/C12H27BO2/c1-7-8-9-12(6)13(14-10(2)3)15-11(4)5/h10-12H,7-9H2,1-6H3
InChIKeyUTMNGDCEAAVZPV-UHFFFAOYSA-N
MW214.16 g/mol
LogP3.90
Rot. Bonds8

About hexan-2-yl-di(propan-2-yloxy)borane

hexan-2-yl-di(propan-2-yloxy)borane (PubChem CID 57174068) has the molecular formula C12H27BO2 and a molecular weight of 214.16 g/mol. Its IUPAC name is hexan-2-yl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Namehexan-2-yl-di(propan-2-yloxy)borane
PubChem CID57174068
Molecular FormulaC12H27BO2
Molecular Weight214.16 g/mol
Exact Mass214.21
IUPAC Namehexan-2-yl-di(propan-2-yloxy)borane
SMILESCCCCC(C)B(OC(C)C)OC(C)C
InChIInChI=1S/C12H27BO2/c1-7-8-9-12(6)13(14-10(2)3)15-11(4)5/h10-12H,7-9H2,1-6H3
InChIKeyUTMNGDCEAAVZPV-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl-di(propan-2-yloxy)borane
CID 3775344
hexan-2-yloxyboronic acid
CID 159771152
hexyl-di(propan-2-yloxy)borane
CID 13183257
tributyl(methyl)phosphanium
CID 2760115
butyl-ethoxy-propan-2-yloxyborane
CID 20654637
(7R)-7-methoxy-2-methylundecane
CID 118890177
tris(2-methylhexyl) borate
CID 89239573
tributyl(methyl)phosphanium iodide
CID 2760114
2-methylhexane;dihydrate
CID 155319003
dibutyl-ethyl-methylphosphanium
CID 58444360
2-methylhexane;propane
CID 143695748
2-methylhexane;hydrochloride
CID 172797630

Frequently Asked Questions

What is the IUPAC name of hexan-2-yl-di(propan-2-yloxy)borane?
The IUPAC name of hexan-2-yl-di(propan-2-yloxy)borane (CID 57174068) is hexan-2-yl-di(propan-2-yloxy)borane.
What is the SMILES notation for hexan-2-yl-di(propan-2-yloxy)borane?
The canonical SMILES for hexan-2-yl-di(propan-2-yloxy)borane is CCCCC(C)B(OC(C)C)OC(C)C.
What is the InChIKey of hexan-2-yl-di(propan-2-yloxy)borane?
The InChIKey is UTMNGDCEAAVZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO2/c1-7-8-9-12(6)13(14-10(2)3)15-11(4)5/h10-12H,7-9H2,1-6H3.
What are the key properties of hexan-2-yl-di(propan-2-yloxy)borane?
hexan-2-yl-di(propan-2-yloxy)borane has a molecular weight of 214.16 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl-di(propan-2-yloxy)borane is sourced from PubChem (CID 57174068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).